SCHEMBL2028574

SCHEMBL2028574

O=C(O)C1CCCN1Cc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 7/20 0.59
NPBWR1 P48145 6/20 0.58
HRH3 Q9Y5N1 2/20 0.52
GBA1 P04062 1/20 0.52
KDM4E B2RXH2 1/20 0.50
NPC1 O15118 1/20 0.50
NR2F2 P24468 1/20 0.50
MAPK1 P28482 1/20 0.50
RAB9A P51151 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
ALDH1A1 P00352 1/20 0.49
PDCD1 Q15116 1/20 0.48
CD274 Q9NZQ7 1/20 0.48
SIGMAR1 Q99720 2/20 0.48

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1819646 1.00 MCHR1 (0.59) MCHR1NPBWR1HRH3GBA1KDM4E
Hydrochloric Acid SCHEMBL11162003 0.99 MCHR1 (0.58) MCHR1NPBWR1HRH3GBA1KDM4E
Hydrochloric Acid SCHEMBL11162007 0.99 MCHR1 (0.58) MCHR1NPBWR1HRH3GBA1KDM4E
SCHEMBL2035214 0.85 KDM4E (0.56) MCHR1NPBWR1KDM4EMAPK1SMN1; SMN2
SCHEMBL3563907 0.85 MCHR1 (0.56) MCHR1NPBWR1HRH3GBA1KDM4E
SCHEMBL2035212 0.85 KDM4E (0.56) MCHR1NPBWR1KDM4EMAPK1SMN1; SMN2
SCHEMBL7460803 0.84 MCHR1 (0.53) MCHR1NPBWR1HRH3GBA1ALDH1A1
SCHEMBL7458698 0.84 MCHR1 (0.53) MCHR1NPBWR1HRH3GBA1KDM4E
SCHEMBL1817183 0.81 CYP1A2 (0.51) MCHR1NPBWR1SMN1; SMN2PDCD1CD274
SCHEMBL2032294 0.81 CYP1A2 (0.51) MCHR1NPBWR1SMN1; SMN2PDCD1CD274

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10174077-B2 Method of inhibiting activity of cell surface fibroblast activation protein alpha THE BOARD OF REGENTS OF THE UNIVERSITY OF OKLAHOMA (US) 2019-01-08 US disclosed
US-10155789-B2 Substrates and inhibitors of prolyl oligopeptidase and methods of use thereof THE BOARD OF REGENTS OF THE UNIVERSITY OF OKLAHOMA (US) 2018-12-18 US disclosed
US-20170260231-A1 Substrates and Inhibitors of Prolyl Oligopeptidase and Methods of Use Thereof UNIV OKLAHOMA (US) 2017-09-14 US disclosed
US-9688722-B2 Substrates and inhibitors of prolyl oligopeptidase and methods of use THE BOARD OF REGENTS OF THE UNIVERSITY OF OKLAHOMA (US) 2017-06-27 US disclosed
US-20170066800-A1 Substrates and Inhibitors of Antiplasmin Cleaving Enzyme and Fibroblast Activation Protein and Methods of Use UNIV OKLAHOMA (US) 2017-03-09 US disclosed
US-9527884-B2 Substrates and inhibitors of antiplasmin cleaving enzyme and fibroblast activation protein and methods of use THE BOARD OF REGENTS OF THE UNIVERSITY OF OKLAHOMA (US) 2016-12-27 US disclosed
US-20150141660-A1 Substrates and Inhibitors of Antiplasmin Cleaving Enzyme and Fibroblast Activation Protein and Methods of Use NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-05-21 US disclosed
US-20150119330-A1 SUBSTRATES AND INHIBITORS OF PROLYL OLIGOPEPTIDASE AND FIBROBLAST ACTIVATION PROTEIN AND METHODS OF USE THE BOARD OF REGENTS OF THE UNIVERSITY OF OKLAHOMA 2015-04-30 US disclosed
EP-2844246-A1 SUBSTRATES AND INHIBITORS OF PROLYL OLIGOPEPTIDASE AND FIBROBLAST ACTIVATION PROTEIN AND METHODS OF USE The Board of Regents of the University of Oklahoma (US) 2015-03-11 EP disclosed
US-8933201-B2 Substrates and inhibitors of antiplasmin cleaving enzyme and fibroblast activation protein and methods of use THE BOARD OF REGENTS OF THE UNIVERSITY OF OKLAHOMA (US) 2015-01-13 US disclosed
WO-2013166438-A1 SUBSTRATES AND INHIBITORS OF PROLYL OLIGOPEPTIDASE AND FIBROBLAST ACTIVATION PROTEIN AND METHODS OF USE THE BOARD OF REGENTS OF THE UNIVERSITY OF OKLAHOMA (US) 2013-11-07 WO disclosed
US-20110144037-A1 Substrates and Inhibitors of Antiplasmin Cleaving Enzyme and Fibroblast Activation Protein and Methods of Use THE BOARD OF REGENTS OF THE UNIVERSITY OF OKLAHOMA 2011-06-16 US disclosed
CN-101512338-A Substrates and inhibitors of antiplasmin cleaving enzyme and methods of use thereof MCKEE PATRICK A (US) 2009-08-19 CN disclosed
EP-2038653-A2 SUBSTRATES AND INHIBITORS OF ANTIPLASMIN CLEAVING ENZYME AND METHODS OF USE McKee, Patrick A. (US) 2009-03-25 EP disclosed
US-20080057491-A1 Substrates and inhibitors of antiplasmin cleaving enzyme and methods of use NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2008-03-06 US disclosed
WO-2007146104-A2 SUBSTRATES AND INHIBITORS OF ANTIPLASMIN CLEAVING ENZYME AND METHODS OF USE MCKEE PATRICK A (US) 2007-12-21 WO disclosed